1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate

HCID 317049CAS 22274-75-5

Basic information

Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CCCC(=O)C1
InChIKey
IKOAYBMYVQZXPV-UHFFFAOYSA-N
Molecular formula
C13H20O5
Average molar mass
256.29 g/mol

Names & identifiers

Preferred name
1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate
IUPAC
diethyl 2-(3-oxocyclohexyl)propanedioate

Names & synonyms

1,3-diethyl 2-(3-oxocyclohexyl)propanedioate22274-75-5diethyl 2-(3-oxocyclohexyl)propanedioatediethyl 2-(3-oxocyclohexyl)malonate1,3-diethyl2-(3-oxocyclohexyl)propanedioateNSC246180diethyl 3-oxocyclohexylmalonatePropanedioic acid, (3-oxocyclohexyl)-, diethyl esterSCHEMBL3340261IKOAYBMYVQZXPV-UHFFFAOYSA-NNSC-246180SB74525
Show more names
(3-Oxo-cyclohexyl)-malonic acid diethyl ester2-(3-oxo-cyclohexyl)-malonic acid diethyl esterF181715

Database identifiers

CAS
22274-75-5
PubChem CID
317049
Nikkaji
J1.089.813G

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18

Related reactions

15 records

Linked notes

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1,3-Diethyl 2-(3-oxocyclohexyl)propanedioate (HCID 317049)|Huagongshe